2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)ethanoate

Systemtic Name: 2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)ethanoate Openeye Name: 2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)acetate CAS Name: 2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)acetate IUPAC Name: 2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)acetate Traditional Name: 2-(4-cyano-6-ethyl-5-nitro-1,2-benzothiazol-3-yl)acetate Formula: C12H8N3O4S- MolecularWeight: 290.27462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=NS2)CC(=O)[O-])C(=C1[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC2=C(C(=NS2)CC(=O)[O-])C(=C1[N+](=O)[O-])C#N

InChI

InChI=1S/C12H9N3O4S/c1-2-6-3-9-11(7(5-13)12(6)15(18)19)8(14-20-9)4-10(16)17/h3H,2,4H2,1H3,(H,16,17)/p-1